2-[(3-chloranyl-4-cyano-phenyl)amino]-N-(cyclobutylmethyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide

Systemtic Name: 2-[(3-chloranyl-4-cyano-phenyl)amino]-N-(cyclobutylmethyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide Openeye Name: 2-(3-chloro-4-cyano-anilino)-N-(cyclobutylmethyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide CAS Name: 2-(3-chloro-4-cyanoanilino)-N-(cyclobutylmethyl)-4-(trifluoromethyl)-5-pyrimidinecarboxamide IUPAC Name: 2-(3-chloro-4-cyanoanilino)-N-(cyclobutylmethyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide Traditional Name: 2-(3-chloro-4-cyano-anilino)-N-(cyclobutylmethyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide Formula: C18H15ClF3N5O MolecularWeight: 409.79281

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)CNC(=O)C2=CN=C(N=C2C(F)(F)F)NC3=CC(=C(C=C3)C#N)Cl

Isomeric SMILES

C1CC(C1)CNC(=O)C2=CN=C(N=C2C(F)(F)F)NC3=CC(=C(C=C3)C#N)Cl

InChI

InChI=1S/C18H15ClF3N5O/c19-14-6-12(5-4-11(14)7-23)26-17-25-9-13(15(27-17)18(20,21)22)16(28)24-8-10-2-1-3-10/h4-6,9-10H,1-3,8H2,(H,24,28)(H,25,26,27)